[(E)-2-methylbut-2-enyl]cyclobutane

C9H16 — CID 57072568

IUPAC[(E)-2-methylbut-2-enyl]cyclobutane
SMILESC/C=C(\C)CC1CCC1
InChIInChI=1S/C9H16/c1-3-8(2)7-9-5-4-6-9/h3,9H,4-7H2,1-2H3/b8-3+
InChIKeyHSBJWMWAFYQQRQ-FPYGCLRLSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds2

About [(E)-2-methylbut-2-enyl]cyclobutane

[(E)-2-methylbut-2-enyl]cyclobutane (PubChem CID 57072568) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is [(E)-2-methylbut-2-enyl]cyclobutane.

Molecular Properties

Compound Name[(E)-2-methylbut-2-enyl]cyclobutane
PubChem CID57072568
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name[(E)-2-methylbut-2-enyl]cyclobutane
SMILESC/C=C(\C)CC1CCC1
InChIInChI=1S/C9H16/c1-3-8(2)7-9-5-4-6-9/h3,9H,4-7H2,1-2H3/b8-3+
InChIKeyHSBJWMWAFYQQRQ-FPYGCLRLSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylbut-2-enyl)cyclopentan-1-ol
CID 67247962
[(E)-2-methylpent-2-enyl]cyclohexane
CID 143898911
5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine
CID 79598587
2-cyclopropylpropylcyclobutane
CID 54087952
1-cyclohexadecylpropan-2-one
CID 175123721
1-methyl-2-(2-methylbut-2-enyl)piperidine
CID 91142338
2-cyclobutyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114973953
(5-chloro-2-methylpent-2-enyl)cyclopropane
CID 79604228
1-cyclobutylpropan-2-one;ethyl formate
CID 174968051
N-(1-cyclopentylpropan-2-ylidene)hydroxylamine
CID 131143406
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
(E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide
CID 139304684

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylbut-2-enyl]cyclobutane?
The IUPAC name of [(E)-2-methylbut-2-enyl]cyclobutane (CID 57072568) is [(E)-2-methylbut-2-enyl]cyclobutane.
What is the SMILES notation for [(E)-2-methylbut-2-enyl]cyclobutane?
The canonical SMILES for [(E)-2-methylbut-2-enyl]cyclobutane is C/C=C(\C)CC1CCC1.
What is the InChIKey of [(E)-2-methylbut-2-enyl]cyclobutane?
The InChIKey is HSBJWMWAFYQQRQ-FPYGCLRLSA-N. The full InChI is InChI=1S/C9H16/c1-3-8(2)7-9-5-4-6-9/h3,9H,4-7H2,1-2H3/b8-3+.
What are the key properties of [(E)-2-methylbut-2-enyl]cyclobutane?
[(E)-2-methylbut-2-enyl]cyclobutane has a molecular weight of 124.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylbut-2-enyl]cyclobutane is sourced from PubChem (CID 57072568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).